(2-tert-butylphenyl) diphenyl phosphate (CED0035124)

Record Information
Version1.0
Creation Date2026-08-21 22:10:23 UTC
Update Date2026-08-21 22:10:23 UTC
SynCED IDCED0035124
Secondary Accession Numbers
  • CHEM205568
Identification
Common Name(2-tert-butylphenyl) diphenyl phosphate
ClassSmall Molecule
Description
(2-tert-butylphenyl) diphenyl phosphate is an organic compound with the formula C22H23O4P and an average molecular weight of 382.40 g/mol. (2-tert-butylphenyl) diphenyl phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. This substance has been found in or released from two recorded sources: radio transmission systems and electrical & electronic equipment, specifically gas filled discharge tubes with solid cathode.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC22H23O4P
Average Molecular Mass382.400 g/mol
Monoisotopic Mass382.133 g/mol
CAS Registry Number56803-37-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C22H23O4P/c1-22(2,3)20-16-10-11-17-21(20)26-27(23,24-18-12-6-4-7-13-18)25-19-14-8-5-9-15-19/h4-17H,1-3H3
InChI KeyVDIFKDMFGPIVCQ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
6609.0 Log mg/kg [3700:12000]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingPMC4786016
CEDs000233Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.Personal care & cosmeticsPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000523Gas Filled Discharge Tubes With Solid Cathode?Gas Filled Discharge Tubes with Solid Cathodes are electrical components that facilitate the flow of current by ionizing gas within a sealed tube.Electrical & Electronic EquipmentPubChem
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs01886PlasticIndustrial manufacturing & chemical processingPMC4786016
CEDs01902Plastic ProductsIndustrial manufacturing & chemical processingPMC11964802
CEDs03017SludgeWastewater, sanitation & biosolidsPMC6318040
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Glutamyl endopeptidase structureClick to view 3D structureGlutamyl endopeptidaseP0C1U8Staphylococcus aureusPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.27 Low confidence
Statistical Significance
0.0065
Supporting Reference Compounds
1
E-value
50.9912
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.289 Low confidence
Statistical Significance
0.0756
Supporting Reference Compounds
332
E-value
588.384
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.289 Low confidence
Statistical Significance
0.1246
Supporting Reference Compounds
472
E-value
969.768
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.289 Low confidence
Statistical Significance
0.0679
Supporting Reference Compounds
242
E-value
528.985
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.289 Low confidence
Statistical Significance
0.121
Supporting Reference Compounds
407
E-value
942.209
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.289 Low confidence
Statistical Significance
0.1484
Supporting Reference Compounds
372
E-value
1155.13
Click to view 3D structureProbable periplasmic serine endoprotease DegP-likeP18584Chlamydia trachomatisPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.246 Low confidence
Statistical Significance
0.0084
Supporting Reference Compounds
1
E-value
65.0819
Click to view 3D structureCarboxylesteraseB3TNN2Loxostege sticticalisPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.24 Low confidence
Statistical Significance
5.20e-04
Supporting Reference Compounds
1
E-value
4.04816
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.235
Applicability Domain
0.289 Low confidence
Statistical Significance
0.0976
Supporting Reference Compounds
165
E-value
760.12
Neutrophil elastase structureClick to view 3D structureNeutrophil elastaseP08246HumansPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.264 Low confidence
Statistical Significance
0.0706
Supporting Reference Compounds
81
E-value
549.693
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP00749HumansPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.246 Low confidence
Statistical Significance
0.1343
Supporting Reference Compounds
151
E-value
1045.36
Kallikrein-1 structureClick to view 3D structureKallikrein-1P06870HumansPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.241 Low confidence
Statistical Significance
0.0838
Supporting Reference Compounds
74
E-value
652.766
Kallikrein-4 structureClick to view 3D structureKallikrein-4Q9Y5K2HumansPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.241 Low confidence
Statistical Significance
0.0284
Supporting Reference Compounds
14
E-value
220.858
Kallikrein-8 structureClick to view 3D structureKallikrein-8O60259HumansPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.241 Low confidence
Statistical Significance
0.0191
Supporting Reference Compounds
22
E-value
149.081
Kallikrein-2 structureClick to view 3D structureKallikrein-2P20151HumansPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.241 Low confidence
Statistical Significance
0.0289
Supporting Reference Compounds
11
E-value
224.906
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.241 Low confidence
Statistical Significance
0.2778
Supporting Reference Compounds
331
E-value
2162.42
Short transient receptor potential channel 4 structureClick to view 3D structureShort transient receptor potential channel 4Q9QUQ5Mus musculusPredicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.296 Low confidence
Statistical Significance
0.1843
Supporting Reference Compounds
128
E-value
1434.45
Mandelate racemase structureClick to view 3D structureMandelate racemaseP11444Pseudomonas putidaPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.225 Low confidence
Statistical Significance
0.0028
Supporting Reference Compounds
1
E-value
21.5642
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.241 Low confidence
Statistical Significance
0.2277
Supporting Reference Compounds
206
E-value
1772.55
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.237 Low confidence
Statistical Significance
0.287
Supporting Reference Compounds
284
E-value
2234.12
Transcription factor EB structureClick to view 3D structureTranscription factor EBP19484HumansPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.222 Low confidence
Statistical Significance
0.0136
Supporting Reference Compounds
1
E-value
105.953
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.296 Low confidence
Statistical Significance
0.3546
Supporting Reference Compounds
425
E-value
2760.22
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.22
Applicability Domain
0.262 Low confidence
Statistical Significance
0.7205
Supporting Reference Compounds
1301
E-value
5609.19
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.262 Low confidence
Statistical Significance
0.1874
Supporting Reference Compounds
136
E-value
1458.74
Protein-tyrosine kinase 2-beta structureClick to view 3D structureProtein-tyrosine kinase 2-betaQ14289HumansPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.267 Low confidence
Statistical Significance
0.5192
Supporting Reference Compounds
414
E-value
4042.32
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available